A1CET
Summary
| Name: | 2,3,5,6,8,9,11,12,14,15-decahydro-1,4,7,10,13,16-benzohexaoxacyclooctadecine-18-thiol |
| Formula: | C16 H24 O6 S |
| Formal charge: | 0 |
| Formula weight: | 344.423 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 14.52 | 2,3,5,6,8,9,11,12,14,15-decahydro-1,4,7,10,13,16-benzohexaoxacyclooctadecine-18-thiol |
| OpenEye OEToolkits | 3.1.0.0 | 2,5,8,11,14,17-hexaoxabicyclo[16.4.0]docosa-1(18),19,21-triene-20-thiol |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 14.52 | Sc1cc2OCCOCCOCCOCCOCCOc2cc1 |
| InChI | InChI | 1.06 | InChI=1S/C16H24O6S/c23-14-1-2-15-16(13-14)22-12-10-20-8-6-18-4-3-17-5-7-19-9-11-21-15/h1-2,13,23H,3-12H2 |
| InChIKey | InChI | 1.06 | BPELBPJWXAPBFN-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Sc1ccc2OCCOCCOCCOCCOCCOc2c1 |
| SMILES | CACTVS | 3.385 | Sc1ccc2OCCOCCOCCOCCOCCOc2c1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 3.1.0.0 | c1cc2c(cc1S)OCCOCCOCCOCCOCCO2 |
| SMILES | OpenEye OEToolkits | 3.1.0.0 | c1cc2c(cc1S)OCCOCCOCCOCCOCCO2 |
